* LIGAND DATABASE FILE (OPLS2005)
*
001     102   103    185    278     534
    1     0 S   NP   _N1_     1    28.40768    97.67993   -22.56206
    2     1 S   H    _HN1     2     1.02829    46.18048   170.23729
    3     1 S   H    _H1_     3     1.02787    97.09502   -81.73709
    4     1 S   H    _H2_     4     1.02949    68.36187    25.23135
    5     1 S   CT   _CA1     5     1.50085   148.60112   119.27053
    6     5 S   HC   _HA1     6     1.09584   105.20041    96.01844
    7     5 S   CO3  _C1_     7     1.53805   112.46345   -24.09346
    8     7 S   O2Z  _O11     8     1.26361   115.01926   -44.47729
    9     7 S   O2Z  _O12     9     1.26253   114.93504   134.69050
   10     5 S   CT   _CB1    10     1.53108   107.41065  -146.17362
   11    10 S   HC   HB11    11     1.09821   109.31827   -51.60452
   12    10 S   HC   HB12    12     1.09809   110.51345    65.04086
   13    10 S   CT   _CG1    13     1.52893   112.44167  -172.67201
   14    13 S   HC   HG11    14     1.09500   110.29008   -66.17379
   15    13 S   HC   HG12    15     1.09656   109.82957    53.10623
   16    13 S   C    _CD1    16     1.51642   112.64583   173.60089
   17    16 S   O    _OE1    17     1.22724   123.27187     2.93171
   18    16 S   N    _N2_    18     1.38760   111.62261  -176.84322
   19    18 S   H    _HN2    19     1.01579   119.08665     1.19419
   20    18 S   CT1  _CA2    20     1.46095   123.14990   177.42291
   21    20 S   HC   _HA2    21     1.09738   109.20362     3.78020
   22    20 S   C    _C2_    22     1.53590   108.81545  -111.78277
   23    22 S   O    _O2_    23     1.23078   122.19195  -149.21145
   24    20 S   CT   _CB2    32     1.53523   112.16994   125.58263
   25    24 S   HC   HB21    33     1.09513   109.87812    60.73084
   26    24 S   HC   HB22    34     1.09306   108.91989   179.18099
   27    22 S   N    _N3_    24     1.38290   113.82998    38.11254
   28    27 S   H    _HN3    25     1.01578   119.59377    -3.18143
   29    24 S   S    _SG2    35     1.82790   111.54466   -59.52894
   30    27 S   CT   _CA3    26     1.45284   123.22856   177.28243
   31    30 S   HC   HA31    27     1.09548   107.50875   -64.92660
   32    30 S   HC   HA32    28     1.09558   107.99218    51.51925
   33    29 S   CT   _C16    36     1.88130   103.18433  -161.70410
   34    30 S   CO3  _C3_    29     1.52958   114.06929   173.53771
   35    34 S   O2Z  _O31    30     1.26374   116.06920     0.07133
   36    34 S   O2Z  _O32    31     1.26426   114.41438  -179.87805
   37    33 S   CT   _C15    37     1.56091   105.49527    76.64796
   38    37 S   HC   _H18    38     1.09726   111.40462    61.58917
   39    37 S   HC   _H19    39     1.09702   110.54832   -55.72307
   40    33 S   CT   _C17    98     1.55884   106.01280  -168.36832
   41    40 S   HC   _H20    99     1.08997   111.97875  -176.71163
   42    40 S   HC   _H21   100     1.09019   112.99332    62.50652
   43    37 S   CT   _C14    40     1.52914   113.19055  -175.80745
   44    43 S   HC   _H16    41     1.09679   109.11127   177.94977
   45    43 S   HC   _H17    42     1.09610   111.19276   -66.64111
   46    40 S   OH   _O34   101     1.42951   111.86287   -58.52761
   47    46 S   HO   _H22   102     0.97241   107.02743   179.24775
   48    43 S   CT   _C13    43     1.52818   111.03742    56.87591
   49    48 S   HC   _H6_    44     1.09857   109.49172    62.17535
   50    48 S   CT   _C12    45     1.54215   111.81129   -57.21121
   51    50 S   HC   _H5_    46     1.09661   107.71973   175.89659
   52    48 S   OS   _O35    76     1.44272   109.68500  -178.17801
   53    33 S   CT   _C11    47     1.57469   113.33117   -41.96995
   54    53 S   HC   _H4_    48     1.09955   104.86751    58.80107
   55    50 S   OS   _O39    71     1.43060   109.93290   -65.44163
   56    52 S   CO4  _C18    77     1.36090   117.47602   -83.33760
   57    56 S   O    _O36    78     1.21861   126.54222    -0.27052
   58    53 S   C3T  _C9_    49     1.54289   120.00670   -56.16577
   59    55 S   CT   _C28    72     1.42121   113.51513  -105.34091
   60    59 S   HC   _H31    73     1.09321   108.23142   178.93872
   61    59 S   HC   _H32    74     1.09329   111.08778    59.85762
   62    59 S   HC   _H33    75     1.09425   110.37804   -62.49106
   63    56 S   CM   _C19    79     1.48356   106.99133   179.74977
   64    63 S   HC   _H23    80     1.08846   115.37777     0.71710
   65    58 S   C3T  _C8_    50     1.53564   125.18725    -7.53359
   66    65 S   HC   _H3_    51     1.07691   121.05665     8.79917
   67    58 S   CT   _C10    67     1.51083   114.86434   153.32541
   68    67 S   HC   _H13    68     1.09425   112.31281   149.27645
   69    67 S   HC   _H14    69     1.09328   112.26643    29.08253
   70    67 S   HC   _H15    70     1.09458   109.70114   -90.03398
   71    63 S   CM   _C20    81     1.34198   127.16132  -179.28154
   72    71 S   HC   _H24    82     1.08756   115.37704  -179.98022
   73    58 S   O3T  _O33    52     1.43868   113.48006   -73.04515
   74    65 S   CT   _C7_    53     1.49850   124.43980   164.58021
   75    74 S   HC   _H11    54     1.09672   111.15367    38.93277
   76    74 S   HC   _H12    55     1.09554   108.27444   152.72418
   77    71 S   CM   _C21    83     1.44750   128.38286     0.13562
   78    77 S   HC   _H25    84     1.08634   116.87792     0.39017
   79    74 S   CM   _C6_    56     1.50348   114.19688   -83.21973
   80    79 S   HC   _H10    57     1.08902   114.27047    82.70781
   81    77 S   CM   _C22    85     1.34458   127.55207  -179.73312
   82    81 S   HC   _H26    86     1.08747   115.81861  -179.96574
   83    79 S   CM   _C5_    58     1.34642   127.59754  -100.04402
   84    81 S   CM   _C23    87     1.44887   127.69405     0.24708
   85    84 S   HC   _H27    88     1.08711   116.72079     0.97156
   86    83 S   CT   _C4_    59     1.50528   120.48134  -176.41952
   87    86 S   HC   _H7_    60     1.09496   110.15820   119.44455
   88    86 S   HC   _H8_    61     1.09318   110.49404  -120.78577
   89    86 S   HC   _H9_    62     1.09509   112.40012    -0.62213
   90    83 S   CT   _C29    63     1.50273   124.96001     3.44907
   91    90 S   HC   _H34    64     1.09465   110.12313   125.81918
   92    90 S   HC   _H35    65     1.09476   110.14582  -114.77174
   93    90 S   HC   _H36    66     1.09242   113.40400     6.32385
   94    84 S   CM   _C24    89     1.34422   127.51278  -179.33795
   95    94 S   HC   _H28    90     1.08815   116.05582  -180.00000
   96    94 S   CM   _C25    91     1.44774   127.70262     0.79328
   97    96 S   HC   _H29    92     1.08664   116.98188     3.79333
   98    96 S   CM   _C26    93     1.34082   126.84738  -177.85060
   99    98 S   HC   _H30    94     1.09062   117.46185  -176.85260
  100    98 S   CO3  _C27    95     1.53214   126.04964     1.51375
  101   100 S   O2Z  _O38    96     1.26260   116.27133    48.59792
  102   100 S   O2Z  _O37    97     1.26508   114.14069  -133.38550
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  21   2   1   1  16   7   6   9   4   3  10   5   4   2   1  12
   6  14   6   7  12   5   5   6   3  11   3   2   1   1   6   3
  12   6   5   3   2   1   6   3   4   7   4   3   6   3  10   3
   6   3   8   6   3   7   3   2   1   3   2   1   1   6   3   6
   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    53    54    58    40    41    42    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    50    51    53    54    58    65    73    67    55    40    41    42    46    47  
   35    36  
   36  
    0  
   38    39    43    44    45    48    49    50    53    54    58    52    40    41    42    46  
   39    43    44    45    48    53    40  
   43    44    45    48    53    40  
   41    42    46    47    43    50    53    54    58  
   42    46    47    53  
   46    47    53  
   44    45    48    49    50    51    53    55    52    56  
   45    48    49    50    52  
   48    49    50    52  
   47    53  
    0  
   49    50    51    53    54    58    55    59    52    56    57    63  
   50    51    53    55    52    56  
   51    53    54    58    65    73    67    55    59    60    61    62    52    56  
   53    54    58    55    59    52  
   56    57    63    64    71    53    55  
   54    58    65    66    73    74    67    68    69    70    55    59  
   58    65    73    67    55  
   59    60    61    62    58  
   57    63    64    71    72    77  
   63    64    71  
   65    66    73    74    75    76    79    67    68    69    70  
   60    61    62  
   61    62  
   62  
    0  
   64    71    72    77    78    81  
   71    72    77  
   66    73    74    75    76    79    80    83    67    68    69    70  
   73    74    75    76    79    67  
   68    69    70    73    74  
   69    70    73  
   70    73  
   73  
   72    77    78    81    82    84  
   77    78    81  
   74    75    76    79  
   75    76    79    80    83    86    90  
   76    79    80    83  
   79    80    83  
   78    81    82    84    85    94  
   81    82    84  
   80    83    86    87    88    89    90    91    92    93  
   83    86    90  
   82    84    85    94    95    96  
   84    85    94  
   86    87    88    89    90    91    92    93  
   85    94    95    96    97    98  
   94    95    96  
   87    88    89    90    91    92    93  
   88    89    90  
   89    90  
   90  
   91    92    93  
   92    93  
   93  
    0  
   95    96    97    98    99   100  
   96    97    98  
   97    98    99   100   101   102  
   98    99   100  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   99   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  100   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   320.000  1.410
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    55   320.000  1.410
   53    54   340.000  1.090
   53    58   275.000  1.510
   58    65   260.000  1.509
   58    73   335.000  1.432
   58    67   275.000  1.510
   65    66   340.000  1.088
   65    73   335.000  1.432
   65    74   275.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   317.000  1.510
   79    80   340.000  1.080
   79    83   549.000  1.340
   83    86   317.000  1.510
   83    90   317.000  1.510
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   52    56   214.000  1.327
   56    57   570.000  1.229
   56    63   320.000  1.462
   63    64   340.000  1.080
   63    71   549.000  1.340
   71    72   340.000  1.080
   71    77   380.000  1.444
   77    78   340.000  1.080
   77    81   549.000  1.340
   81    82   340.000  1.080
   81    84   380.000  1.444
   84    85   340.000  1.080
   84    94   549.000  1.340
   94    95   340.000  1.080
   94    96   380.000  1.444
   96    97   340.000  1.080
   96    98   549.000  1.340
   98    99   340.000  1.080
   98   100   230.000  1.545
  100   101   656.000  1.250
  100   102   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   320.000  1.410
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    53    50    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    58    70.00000  112.37300
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    46    50.00000  109.50000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    48    58.35000  112.70000
   39    37    38    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    39    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    58.35000  112.70000
   43    48    52    50.00000  109.50000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    53    58.35000  112.70000
   48    50    55    50.00000  109.50000
   48    52    56    83.00000  116.90000
   50    48    49    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    58    70.00000  112.37300
   50    55    59    60.00000  109.50000
   53    33    37    58.35000  112.70000
   53    50    51    37.50000  110.70000
   53    58    65    60.00000  120.94000
   53    58    73    80.00000  116.47100
   53    58    67    58.35000  112.70000
   58    53    54    45.00000  109.38400
   58    65    66    37.50000  117.20000
   58    65    73    15.00000   60.43100
   58    65    74    60.00000  120.94000
   58    73    65    15.00000   59.14900
   58    67    68    45.00000  109.38400
   58    67    69    45.00000  109.38400
   58    67    70    45.00000  109.38400
   65    74    75    45.00000  109.38400
   65    74    76    45.00000  109.38400
   65    74    79    70.00000  112.02700
   73    58    65    15.00000   60.43100
   73    65    66    50.00000  114.27700
   74    65    66    40.00000  115.04500
   74    65    73    80.00000  116.47100
   74    79    80    35.00000  117.00000
   74    79    83    70.00000  124.00000
   76    74    75    33.00000  107.80000
   79    74    75    35.00000  109.50000
   79    74    76    35.00000  109.50000
   79    83    86    70.00000  124.00000
   79    83    90    70.00000  124.00000
   83    79    80    35.00000  120.00000
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   83    90    91    35.00000  109.50000
   83    90    92    35.00000  109.50000
   83    90    93    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    83    86    65.00000  117.92700
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   67    58    65    60.00000  120.94000
   67    58    73    80.00000  116.47100
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    53    50.00000  109.50000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    50.00000  109.50000
   52    56    57    83.00000  123.40000
   52    56    63    90.00000  111.29400
   56    63    64    40.00000  117.72500
   56    63    71    65.00000  118.96000
   63    56    57    80.00000  123.72100
   63    71    72    35.00000  120.00000
   63    71    77    70.00000  123.01800
   71    63    64    35.00000  120.00000
   71    77    78    35.00000  120.00000
   71    77    81    70.00000  123.01800
   77    71    72    35.00000  120.00000
   77    81    82    35.00000  120.00000
   77    81    84    70.00000  123.01800
   81    77    78    35.00000  120.00000
   81    84    85    35.00000  120.00000
   81    84    94    70.00000  123.01800
   84    81    82    35.00000  120.00000
   84    94    95    35.00000  120.00000
   84    94    96    70.00000  123.01800
   94    84    85    35.00000  120.00000
   94    96    97    35.00000  120.00000
   94    96    98    70.00000  123.01800
   96    94    95    35.00000  120.00000
   96    98    99    35.00000  120.00000
   96    98   100    55.00000  124.75400
   98    96    97    35.00000  120.00000
   98   100   101    85.00000  113.83300
   98   100   102    85.00000  113.83300
  100    98    99    40.00000  118.53000
  102   100   101    80.00000  126.00000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   40    46    47    55.00000  108.50000
   42    40    41    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    42    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    53    50   0.44750  1.0 1.0
   29    33    53    50  -0.17800 -1.0 2.0
   29    33    53    50   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    58   0.44750  1.0 1.0
   29    33    53    58  -0.17800 -1.0 2.0
   29    33    53    58   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    48   0.56750  1.0 1.0
   33    37    43    48  -0.07550 -1.0 2.0
   33    37    43    48   0.20000  1.0 3.0
   33    53    58    65   0.07850  1.0 1.0
   33    53    58    65  -0.03950 -1.0 2.0
   33    53    58    65   0.67350  1.0 3.0
   33    53    58    73   0.02550  1.0 1.0
   33    53    58    73  -0.02600 -1.0 2.0
   33    53    58    73   1.20400  1.0 3.0
   33    53    58    67   0.56750  1.0 1.0
   33    53    58    67  -0.07550 -1.0 2.0
   33    53    58    67   0.20000  1.0 3.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   37    33    53    50   0.56750  1.0 1.0
   37    33    53    50  -0.07550 -1.0 2.0
   37    33    53    50   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    58   0.47050  1.0 1.0
   37    33    53    58   0.03900 -1.0 2.0
   37    33    53    58   0.20100  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    46   0.86500  1.0 1.0
   37    33    40    46  -0.17500 -1.0 2.0
   37    33    40    46   0.20800  1.0 3.0
   37    43    48    49   0.15000  1.0 3.0
   37    43   -48    50   0.56750  1.0 1.0
   37    43   -48    50  -0.07550 -1.0 2.0
   37    43   -48    50   0.20000  1.0 3.0
   37    43    48    52   0.62750  1.0 1.0
   37    43    48    52  -0.30950 -1.0 2.0
   37    43    48    52   0.27300  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   39    37    43    44   0.15000  1.0 3.0
   39    37    43    45   0.15000  1.0 3.0
   39    37    43    48   0.15000  1.0 3.0
   43    48    50    51   0.15000  1.0 3.0
   43    48    50    53   0.56750  1.0 1.0
   43    48    50    53  -0.07550 -1.0 2.0
   43    48    50    53   0.20000  1.0 3.0
   43    48    50    55   0.62750  1.0 1.0
   43    48    50    55  -0.30950 -1.0 2.0
   43    48    50    55   0.27300  1.0 3.0
   43    48    52    56  -0.25900  1.0 1.0
   43    48    52    56  -0.47000 -1.0 2.0
   43    48    52    56   0.11750  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    52   0.23400  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    52   0.23400  1.0 3.0
   48    50   -53    33   0.56750  1.0 1.0
   48    50   -53    33  -0.07550 -1.0 2.0
   48    50   -53    33   0.20000  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    58   0.47050  1.0 1.0
   48    50    53    58   0.03900 -1.0 2.0
   48    50    53    58   0.20100  1.0 3.0
   48    50    55    59   0.06250  1.0 1.0
   48    50    55    59  -0.01100 -1.0 2.0
   48    50    55    59   0.28050  1.0 3.0
   48    52    56    57   3.00000 -1.0 2.0
   48    52    56    63   2.00000 -1.0 2.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    50    55   0.23400  1.0 3.0
   49    48    52    56   0.08050  1.0 3.0
   50    48    52    56  -0.25900  1.0 1.0
   50    48    52    56  -0.47000 -1.0 2.0
   50    48    52    56   0.11750  1.0 3.0
   50    53    58    65   0.07850  1.0 1.0
   50    53    58    65  -0.03950 -1.0 2.0
   50    53    58    65   0.67350  1.0 3.0
   50    53    58    73   0.02550  1.0 1.0
   50    53    58    73  -0.02600 -1.0 2.0
   50    53    58    73   1.20400  1.0 3.0
   50    53    58    67   0.56750  1.0 1.0
   50    53    58    67  -0.07550 -1.0 2.0
   50    53    58    67   0.20000  1.0 3.0
   50    55    59    60   0.37050  1.0 3.0
   50    55    59    61   0.37050  1.0 3.0
   50    55    59    62   0.37050  1.0 3.0
   51    50    53    33   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    58   0.15000  1.0 3.0
   51    50    55    59   0.37050  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    43   0.56750  1.0 1.0
   53    33   -37    43  -0.07550 -1.0 2.0
   53    33   -37    43   0.20000  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    46   0.86500  1.0 1.0
   53    33    40    46  -0.17500 -1.0 2.0
   53    33    40    46   0.20800  1.0 3.0
   53    50    55    59   0.06250  1.0 1.0
   53    50    55    59  -0.01100 -1.0 2.0
   53    50    55    59   0.28050  1.0 3.0
   53    58    65    66   0.15000  1.0 3.0
   53    58   -65    73   0.02550  1.0 1.0
   53    58   -65    73  -0.02600 -1.0 2.0
   53    58   -65    73   1.20400  1.0 3.0
   53    58    65    74   0.56750  1.0 1.0
   53    58    65    74  -0.07550 -1.0 2.0
   53    58    65    74   0.20000  1.0 3.0
   53    58   -73    65   0.06250  1.0 1.0
   53    58   -73    65  -0.01100 -1.0 2.0
   53    58   -73    65   0.28050  1.0 3.0
   53    58    67    68   0.15000  1.0 3.0
   53    58    67    69   0.15000  1.0 3.0
   53    58    67    70   0.15000  1.0 3.0
   54    53    58    65   0.15000  1.0 3.0
   54    53    58    73   0.23400  1.0 3.0
   54    53    58    67   0.15000  1.0 3.0
   58    65    74    75   0.15000  1.0 3.0
   58    65    74    76   0.15000  1.0 3.0
   58    65    74    79   0.34400  1.0 1.0
   58    65    74    79   0.09450 -1.0 2.0
   58    65    74    79   0.11100  1.0 3.0
   65    58    67    68   0.15000  1.0 3.0
   65    58    67    69   0.15000  1.0 3.0
   65    58    67    70   0.15000  1.0 3.0
   65    74    79    80   0.00000  1.0 1.0
   65    74    79    83   0.09850  1.0 1.0
   65    74    79    83   0.15250 -1.0 2.0
   65    74    79    83  -0.50650  1.0 3.0
   66    65   -73    58   0.36800  1.0 3.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    76   0.15000  1.0 3.0
   66    65    74    79   0.15000  1.0 3.0
   73    58   -65    66   0.23400  1.0 3.0
   73    58   -65    74   0.02550  1.0 1.0
   73    58   -65    74  -0.02600 -1.0 2.0
   73    58   -65    74   1.20400  1.0 3.0
   73    58    67    68   0.23400  1.0 3.0
   73    58    67    69   0.23400  1.0 3.0
   73    58    67    70   0.23400  1.0 3.0
   73    65    74    75   0.23400  1.0 3.0
   73    65    74    76   0.23400  1.0 3.0
   73    65    74    79   0.61850  1.0 1.0
   73    65    74    79  -0.22750 -1.0 2.0
   73    65    74    79   0.15300  1.0 3.0
   74    65   -73    58   0.06250  1.0 1.0
   74    65   -73    58  -0.01100 -1.0 2.0
   74    65   -73    58   0.28050  1.0 3.0
   74    79    83    86   7.00000 -1.0 2.0
   74    79    83    90   7.00000 -1.0 2.0
   75    74    79    80   0.33100  1.0 3.0
   75    74    79    83   0.00000  1.0 1.0
   76    74    79    80   0.33100  1.0 3.0
   76    74    79    83   0.00000  1.0 1.0
   79    83    86    87   0.00000  1.0 1.0
   79    83    86    88   0.00000  1.0 1.0
   79    83    86    89   0.00000  1.0 1.0
   79    83    90    91   0.00000  1.0 1.0
   79    83    90    92   0.00000  1.0 1.0
   79    83    90    93   0.00000  1.0 1.0
   80    79    83    86   7.00000 -1.0 2.0
   80    79    83    90   7.00000 -1.0 2.0
   86    83    90    91   0.34800  1.0 3.0
   86    83    90    92   0.34800  1.0 3.0
   86    83    90    93   0.34800  1.0 3.0
   90    83    86    87   0.34800  1.0 3.0
   90    83    86    88   0.34800  1.0 3.0
   90    83    86    89   0.34800  1.0 3.0
   67    58    65    66   0.15000  1.0 3.0
   67    58   -65    73   0.02550  1.0 1.0
   67    58   -65    73  -0.02600 -1.0 2.0
   67    58   -65    73   1.20400  1.0 3.0
   67    58    65    74   0.56750  1.0 1.0
   67    58    65    74  -0.07550 -1.0 2.0
   67    58    65    74   0.20000  1.0 3.0
   67    58   -73    65   0.06250  1.0 1.0
   67    58   -73    65  -0.01100 -1.0 2.0
   67    58   -73    65   0.28050  1.0 3.0
   55    50    53    33   0.62750  1.0 1.0
   55    50    53    33  -0.30950 -1.0 2.0
   55    50    53    33   0.27300  1.0 3.0
   55    50    53    54   0.23400  1.0 3.0
   55    50    53    58  -0.26800  1.0 1.0
   55    50    53    58   0.69150 -1.0 2.0
   55    50    53    58  -0.48750  1.0 3.0
   52    48    50    51   0.23400  1.0 3.0
   52    48    50    53   0.62750  1.0 1.0
   52    48    50    53  -0.30950 -1.0 2.0
   52    48    50    53   0.27300  1.0 3.0
   52    48    50    55   1.11900  1.0 1.0
   52    48    50    55  -1.16350 -1.0 2.0
   52    48    50    55  -0.34150  1.0 3.0
   52    56    63    64   1.63100 -1.0 2.0
   52    56    63    71  -0.56150  1.0 1.0
   52    56    63    71   2.19150 -1.0 2.0
   56    63    71    72   7.00000 -1.0 2.0
   56    63    71    77   7.00000 -1.0 2.0
   57    56    63    64   0.00000  1.0 1.0
   57    56    63    71   1.00000 -1.0 2.0
   63    71    77    78  -0.18600  1.0 3.0
   63    71    77    81   0.28850  1.0 1.0
   63    71    77    81   2.61350 -1.0 2.0
   63    71    77    81   0.78400  1.0 3.0
   64    63    71    72   7.00000 -1.0 2.0
   64    63    71    77   7.00000 -1.0 2.0
   71    77    81    82   7.00000 -1.0 2.0
   71    77    81    84   7.00000 -1.0 2.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    81  -0.18600  1.0 3.0
   77    81    84    85  -0.18600  1.0 3.0
   77    81    84    94   0.28850  1.0 1.0
   77    81    84    94   2.61350 -1.0 2.0
   77    81    84    94   0.78400  1.0 3.0
   78    77    81    82   7.00000 -1.0 2.0
   78    77    81    84   7.00000 -1.0 2.0
   81    84    94    95   7.00000 -1.0 2.0
   81    84    94    96   7.00000 -1.0 2.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    94  -0.18600  1.0 3.0
   84    94    96    97  -0.18600  1.0 3.0
   84    94    96    98   0.28850  1.0 1.0
   84    94    96    98   2.61350 -1.0 2.0
   84    94    96    98   0.78400  1.0 3.0
   85    84    94    95   7.00000 -1.0 2.0
   85    84    94    96   7.00000 -1.0 2.0
   94    96    98    99   7.00000 -1.0 2.0
   94    96    98   100   7.00000 -1.0 2.0
   95    94    96    97   0.00000  1.0 1.0
   95    94    96    98  -0.18600  1.0 3.0
   96    98   100   101  -0.04000 -1.0 2.0
   96    98   100   101  -0.29050  1.0 3.0
   96    98   100   102  -0.04000 -1.0 2.0
   96    98   100   102  -0.29050  1.0 3.0
   97    96    98    99   7.00000 -1.0 2.0
   97    96    98   100   7.00000 -1.0 2.0
   99    98   100   101   0.00000  1.0 1.0
   99    98   100   102   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.56750  1.0 1.0
   40    33    37    43  -0.07550 -1.0 2.0
   40    33    37    43   0.20000  1.0 3.0
   40    33    53    50   0.56750  1.0 1.0
   40    33    53    50  -0.07550 -1.0 2.0
   40    33    53    50   0.20000  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    58   0.47050  1.0 1.0
   40    33    53    58   0.03900 -1.0 2.0
   40    33    53    58   0.20100  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   42    40    46    47   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   74    80    79    83  15.00000 -1.0 2.0
   86    90    83    79  15.00000 -1.0 2.0
   52    63    56    57  10.50000 -1.0 2.0
   56    64    63    71  15.00000 -1.0 2.0
   77    72    71    63  15.00000 -1.0 2.0
   71    78    77    81  15.00000 -1.0 2.0
   84    82    81    77  15.00000 -1.0 2.0
   81    85    84    94  15.00000 -1.0 2.0
   96    95    94    84  15.00000 -1.0 2.0
   94    97    96    98  15.00000 -1.0 2.0
  100    99    98    96  15.00000 -1.0 2.0
  101    98   100   102  10.50000 -1.0 2.0
END
